10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline

C16H17N — CID 91311914

IUPAC10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline
SMILESCC(C)c1c2c(cc3ccncc13)=CCCC=2
InChIInChI=1S/C16H17N/c1-11(2)16-14-6-4-3-5-12(14)9-13-7-8-17-10-15(13)16/h5-11H,3-4H2,1-2H3
InChIKeyMHILNHMHSWHYPP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.71
Rot. Bonds1

About 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline

10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline (PubChem CID 91311914) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline.

Molecular Properties

Compound Name10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline
PubChem CID91311914
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline
SMILESCC(C)c1c2c(cc3ccncc13)=CCCC=2
InChIInChI=1S/C16H17N/c1-11(2)16-14-6-4-3-5-12(14)9-13-7-8-17-10-15(13)16/h5-11H,3-4H2,1-2H3
InChIKeyMHILNHMHSWHYPP-UHFFFAOYSA-N
XLogP2.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline?
The IUPAC name of 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline (CID 91311914) is 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline.
What is the SMILES notation for 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline?
The canonical SMILES for 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline is CC(C)c1c2c(cc3ccncc13)=CCCC=2.
What is the InChIKey of 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline?
The InChIKey is MHILNHMHSWHYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-11(2)16-14-6-4-3-5-12(14)9-13-7-8-17-10-15(13)16/h5-11H,3-4H2,1-2H3.
What are the key properties of 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline?
10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline has a molecular weight of 223.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-7,8-dihydrobenzo[g]isoquinoline is sourced from PubChem (CID 91311914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).